N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C24H27N3O3 — CID 23944662

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N(Cc2cccnc2)C2CC(=O)N(c3ccccc3)C2=O)C1(C)C
InChIInChI=1S/C24H27N3O3/c1-23(2)20(24(23,3)4)22(30)26(15-16-9-8-12-25-14-16)18-13-19(28)27(21(18)29)17-10-6-5-7-11-17/h5-12,14,18,20H,13,15H2,1-4H3
InChIKeyMSNSHAVYHDMCAW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.42
Rot. Bonds5

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 23944662) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID23944662
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N(Cc2cccnc2)C2CC(=O)N(c3ccccc3)C2=O)C1(C)C
InChIInChI=1S/C24H27N3O3/c1-23(2)20(24(23,3)4)22(30)26(15-16-9-8-12-25-14-16)18-13-19(28)27(21(18)29)17-10-6-5-7-11-17/h5-12,14,18,20H,13,15H2,1-4H3
InChIKeyMSNSHAVYHDMCAW-UHFFFAOYSA-N
XLogP3.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 25049309
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 23972707
4-[3-[benzyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzamide
CID 23803695
2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 23972511
ethyl 4-[3-[benzyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23774627
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 23832478
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 25049124
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 25044971
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 25043936
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 23944662) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)N(Cc2cccnc2)C2CC(=O)N(c3ccccc3)C2=O)C1(C)C.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is MSNSHAVYHDMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-23(2)20(24(23,3)4)22(30)26(15-16-9-8-12-25-14-16)18-13-19(28)27(21(18)29)17-10-6-5-7-11-17/h5-12,14,18,20H,13,15H2,1-4H3.
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 23944662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).